(1-ethoxycarbonylpiperidin-4-yl) 2-methyl-6-phenylpyridine-3-carboxylate

C21H24N2O4 — CID 71896452

IUPAC(1-ethoxycarbonylpiperidin-4-yl) 2-methyl-6-phenylpyridine-3-carboxylate
SMILESCCOC(=O)N1CCC(OC(=O)c2ccc(-c3ccccc3)nc2C)CC1
InChIInChI=1S/C21H24N2O4/c1-3-26-21(25)23-13-11-17(12-14-23)27-20(24)18-9-10-19(22-15(18)2)16-7-5-4-6-8-16/h4-10,17H,3,11-14H2,1-2H3
InChIKeyGVQDBEMTVLTZKQ-UHFFFAOYSA-N
MW368.43 g/mol
LogP3.83
Rot. Bonds4

About (1-ethoxycarbonylpiperidin-4-yl) 2-methyl-6-phenylpyridine-3-carboxylate

(1-ethoxycarbonylpiperidin-4-yl) 2-methyl-6-phenylpyridine-3-carboxylate (PubChem CID 71896452) has the molecular formula C21H24N2O4 and a molecular weight of 368.43 g/mol. Its IUPAC name is (1-ethoxycarbonylpiperidin-4-yl) 2-methyl-6-phenylpyridine-3-carboxylate.

Molecular Properties

Compound Name(1-ethoxycarbonylpiperidin-4-yl) 2-methyl-6-phenylpyridine-3-carboxylate
PubChem CID71896452
Molecular FormulaC21H24N2O4
Molecular Weight368.43 g/mol
Exact Mass368.17
IUPAC Name(1-ethoxycarbonylpiperidin-4-yl) 2-methyl-6-phenylpyridine-3-carboxylate
SMILESCCOC(=O)N1CCC(OC(=O)c2ccc(-c3ccccc3)nc2C)CC1
InChIInChI=1S/C21H24N2O4/c1-3-26-21(25)23-13-11-17(12-14-23)27-20(24)18-9-10-19(22-15(18)2)16-7-5-4-6-8-16/h4-10,17H,3,11-14H2,1-2H3
InChIKeyGVQDBEMTVLTZKQ-UHFFFAOYSA-N
XLogP3.83
TPSA68.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(1-aminoethyl)piperidin-1-yl]-(2-methyl-6-phenyl-3-pyridinyl)methanone
CID 119518663
[2-[di(propan-2-yl)amino]-2-oxoethyl] 2-methyl-6-phenylpyridine-3-carboxylate
CID 55463613
(4-hydroxypiperidin-1-yl)-(2-methyl-6-phenyl-3-pyridinyl)methanone
CID 110883923
ethyl 4-[[2-(cyclopropylamino)-6-phenylpyrimidin-4-yl]amino]piperidine-1-carboxylate
CID 112933135
[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl] 2-methyl-6-phenylpyridine-3-carboxylate
CID 55473455
[4-(2-ethoxyphenyl)piperazin-1-yl]-(2-methyl-6-phenyl-3-pyridinyl)methanone
CID 35514867
[1-(2-ethylpiperidin-1-yl)-1-oxopropan-2-yl] 2-methyl-6-phenylpyridine-3-carboxylate
CID 55473349
ethyl 4-[(6-phenylpyridazine-3-carbonyl)amino]piperidine-1-carboxylate
CID 113200571
ethyl 4-[2-[benzyl(methyl)amino]-6-phenylpyridine-3-carbonyl]piperazine-1-carboxylate
CID 118758221
ethyl 6-(4-ethoxyphenyl)-2-methylpyridine-3-carboxylate
CID 115917504
ethyl 2-amino-6-phenylpyridine-3-carboxylate
CID 1236695
(3-aminopiperidin-1-yl)-(2-methyl-6-phenyl-3-pyridinyl)methanone;dihydrochloride
CID 119379268

Frequently Asked Questions

What is the IUPAC name of (1-ethoxycarbonylpiperidin-4-yl) 2-methyl-6-phenylpyridine-3-carboxylate?
The IUPAC name of (1-ethoxycarbonylpiperidin-4-yl) 2-methyl-6-phenylpyridine-3-carboxylate (CID 71896452) is (1-ethoxycarbonylpiperidin-4-yl) 2-methyl-6-phenylpyridine-3-carboxylate.
What is the SMILES notation for (1-ethoxycarbonylpiperidin-4-yl) 2-methyl-6-phenylpyridine-3-carboxylate?
The canonical SMILES for (1-ethoxycarbonylpiperidin-4-yl) 2-methyl-6-phenylpyridine-3-carboxylate is CCOC(=O)N1CCC(OC(=O)c2ccc(-c3ccccc3)nc2C)CC1.
What is the InChIKey of (1-ethoxycarbonylpiperidin-4-yl) 2-methyl-6-phenylpyridine-3-carboxylate?
The InChIKey is GVQDBEMTVLTZKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O4/c1-3-26-21(25)23-13-11-17(12-14-23)27-20(24)18-9-10-19(22-15(18)2)16-7-5-4-6-8-16/h4-10,17H,3,11-14H2,1-2H3.
What are the key properties of (1-ethoxycarbonylpiperidin-4-yl) 2-methyl-6-phenylpyridine-3-carboxylate?
(1-ethoxycarbonylpiperidin-4-yl) 2-methyl-6-phenylpyridine-3-carboxylate has a molecular weight of 368.43 g/mol, XLogP of 3.83, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethoxycarbonylpiperidin-4-yl) 2-methyl-6-phenylpyridine-3-carboxylate is sourced from PubChem (CID 71896452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).